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. Author manuscript; available in PMC: 2019 Jun 1.
Published in final edited form as: J Chem Inf Model. 2019 Jan 10;59(1):351–359. doi: 10.1021/acs.jcim.8b00565

Figure 5.

Figure 5.

A comparison between the crystallographic structures of casp-9 (pdb ID 1JXQ) and casp-8 dimers (3KJN), the most representative cluster obtained from our MD simulation of casp-9(8)/IL-1Ra and the adducts with the known caspases inhibitors XIAP (1NW9), and c-FLIP (3H11).